USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 TYR N :NH3+ 142:sc= 1.44 (180deg=0.137) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00177 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 9 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-1.5) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.273) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.18) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 29.462 1.293 -1.742 1.00 6.63 N ATOM 2 CA TYR A 1 28.043 0.994 -2.093 1.00 5.83 C ATOM 3 C TYR A 1 27.118 1.594 -1.029 1.00 5.54 C ATOM 4 O TYR A 1 27.000 1.070 0.061 1.00 6.28 O ATOM 5 CB TYR A 1 27.813 -0.515 -2.168 1.00 6.47 C ATOM 6 CG TYR A 1 28.876 -1.143 -3.073 1.00 7.49 C ATOM 7 CD1 TYR A 1 30.082 -1.562 -2.551 1.00 8.38 C ATOM 8 CD2 TYR A 1 28.640 -1.302 -4.423 1.00 7.71 C ATOM 9 CE1 TYR A 1 31.040 -2.129 -3.367 1.00 9.34 C ATOM 10 CE2 TYR A 1 29.598 -1.869 -5.240 1.00 8.78 C ATOM 11 CZ TYR A 1 30.805 -2.287 -4.718 1.00 9.54 C ATOM 12 OH TYR A 1 31.763 -2.854 -5.534 1.00 10.62 O ATOM 0 H1 TYR A 1 30.058 0.474 -1.977 1.00 6.63 H new ATOM 0 H2 TYR A 1 29.785 2.122 -2.280 1.00 6.63 H new ATOM 0 H3 TYR A 1 29.533 1.492 -0.724 1.00 6.63 H new ATOM 0 HA TYR A 1 27.825 1.431 -3.067 1.00 5.83 H new ATOM 0 HB2 TYR A 1 27.863 -0.952 -1.171 1.00 6.47 H new ATOM 0 HB3 TYR A 1 26.817 -0.724 -2.558 1.00 6.47 H new ATOM 0 HD1 TYR A 1 30.278 -1.445 -1.495 1.00 8.38 H new ATOM 0 HD2 TYR A 1 27.699 -0.981 -4.844 1.00 7.71 H new ATOM 0 HE1 TYR A 1 31.981 -2.451 -2.945 1.00 9.34 H new ATOM 0 HE2 TYR A 1 29.401 -1.986 -6.295 1.00 8.78 H new ATOM 0 HH TYR A 1 31.429 -2.889 -6.455 1.00 10.62 H new ATOM 24 N ALA A 2 26.482 2.681 -1.370 1.00 4.69 N ATOM 25 CA ALA A 2 25.561 3.328 -0.390 1.00 4.68 C ATOM 26 C ALA A 2 24.230 2.570 -0.332 1.00 4.30 C ATOM 27 O ALA A 2 23.244 3.079 0.163 1.00 4.03 O ATOM 28 CB ALA A 2 25.307 4.772 -0.822 1.00 4.20 C ATOM 0 H ALA A 2 26.558 3.146 -2.275 1.00 4.69 H new ATOM 0 HA ALA A 2 26.019 3.310 0.599 1.00 4.68 H new ATOM 0 HB1 ALA A 2 24.635 5.252 -0.111 1.00 4.20 H new ATOM 0 HB2 ALA A 2 26.252 5.315 -0.851 1.00 4.20 H new ATOM 0 HB3 ALA A 2 24.853 4.781 -1.813 1.00 4.20 H new ATOM 34 N SER A 3 24.232 1.368 -0.840 1.00 4.96 N ATOM 35 CA SER A 3 22.975 0.564 -0.822 1.00 5.16 C ATOM 36 C SER A 3 22.932 -0.320 0.429 1.00 6.85 C ATOM 37 O SER A 3 22.581 -1.482 0.360 1.00 7.82 O ATOM 38 CB SER A 3 22.927 -0.316 -2.071 1.00 5.22 C ATOM 39 OG SER A 3 24.105 -1.105 -1.984 1.00 6.07 O ATOM 0 H SER A 3 25.040 0.911 -1.263 1.00 4.96 H new ATOM 0 HA SER A 3 22.117 1.236 -0.808 1.00 5.16 H new ATOM 0 HB2 SER A 3 22.031 -0.937 -2.087 1.00 5.22 H new ATOM 0 HB3 SER A 3 22.915 0.284 -2.981 1.00 5.22 H new ATOM 0 HG SER A 3 24.153 -1.707 -2.756 1.00 6.07 H new ATOM 45 N LEU A 4 23.291 0.249 1.546 1.00 7.41 N ATOM 46 CA LEU A 4 23.278 -0.542 2.811 1.00 9.08 C ATOM 47 C LEU A 4 21.902 -0.452 3.480 1.00 9.13 C ATOM 48 O LEU A 4 21.416 -1.416 4.036 1.00 10.15 O ATOM 49 CB LEU A 4 24.343 0.010 3.758 1.00 10.02 C ATOM 50 CG LEU A 4 25.675 -0.687 3.478 1.00 10.72 C ATOM 51 CD1 LEU A 4 26.822 0.231 3.905 1.00 11.17 C ATOM 52 CD2 LEU A 4 25.743 -1.987 4.282 1.00 12.18 C ATOM 0 H LEU A 4 23.591 1.219 1.639 1.00 7.41 H new ATOM 0 HA LEU A 4 23.489 -1.587 2.582 1.00 9.08 H new ATOM 0 HB2 LEU A 4 24.446 1.086 3.621 1.00 10.02 H new ATOM 0 HB3 LEU A 4 24.045 -0.152 4.794 1.00 10.02 H new ATOM 0 HG LEU A 4 25.758 -0.909 2.414 1.00 10.72 H new ATOM 0 HD11 LEU A 4 27.774 -0.261 3.708 1.00 11.17 H new ATOM 0 HD12 LEU A 4 26.771 1.163 3.342 1.00 11.17 H new ATOM 0 HD13 LEU A 4 26.739 0.446 4.970 1.00 11.17 H new ATOM 0 HD21 LEU A 4 26.691 -2.487 4.085 1.00 12.18 H new ATOM 0 HD22 LEU A 4 25.665 -1.761 5.346 1.00 12.18 H new ATOM 0 HD23 LEU A 4 24.921 -2.640 3.989 1.00 12.18 H new ATOM 64 N GLU A 5 21.308 0.710 3.410 1.00 8.10 N ATOM 65 CA GLU A 5 19.963 0.888 4.037 1.00 8.14 C ATOM 66 C GLU A 5 19.070 1.745 3.133 1.00 6.53 C ATOM 67 O GLU A 5 17.964 2.092 3.499 1.00 6.43 O ATOM 68 CB GLU A 5 20.128 1.576 5.390 1.00 9.07 C ATOM 69 CG GLU A 5 18.925 1.241 6.274 1.00 10.04 C ATOM 70 CD GLU A 5 18.641 2.417 7.210 1.00 10.61 C ATOM 71 OE1 GLU A 5 18.499 3.508 6.681 1.00 9.77 O ATOM 72 OE2 GLU A 5 18.583 2.160 8.402 1.00 11.96 O ATOM 0 H GLU A 5 21.690 1.537 2.951 1.00 8.10 H new ATOM 0 HA GLU A 5 19.497 -0.088 4.172 1.00 8.14 H new ATOM 0 HB2 GLU A 5 21.050 1.246 5.869 1.00 9.07 H new ATOM 0 HB3 GLU A 5 20.207 2.655 5.256 1.00 9.07 H new ATOM 0 HG2 GLU A 5 18.051 1.034 5.656 1.00 10.04 H new ATOM 0 HG3 GLU A 5 19.125 0.340 6.854 1.00 10.04 H new ATOM 79 N GLU A 6 19.570 2.068 1.972 1.00 5.52 N ATOM 80 CA GLU A 6 18.764 2.899 1.032 1.00 3.93 C ATOM 81 C GLU A 6 17.933 1.999 0.112 1.00 4.12 C ATOM 82 O GLU A 6 18.275 1.795 -1.035 1.00 4.37 O ATOM 83 CB GLU A 6 19.706 3.757 0.189 1.00 3.10 C ATOM 84 CG GLU A 6 18.885 4.790 -0.586 1.00 1.58 C ATOM 85 CD GLU A 6 19.095 6.172 0.034 1.00 2.32 C ATOM 86 OE1 GLU A 6 20.129 6.748 -0.265 1.00 2.85 O ATOM 87 OE2 GLU A 6 18.212 6.575 0.772 1.00 2.92 O ATOM 0 H GLU A 6 20.493 1.796 1.635 1.00 5.52 H new ATOM 0 HA GLU A 6 18.091 3.538 1.604 1.00 3.93 H new ATOM 0 HB2 GLU A 6 20.432 4.258 0.829 1.00 3.10 H new ATOM 0 HB3 GLU A 6 20.269 3.129 -0.502 1.00 3.10 H new ATOM 0 HG2 GLU A 6 19.186 4.799 -1.633 1.00 1.58 H new ATOM 0 HG3 GLU A 6 17.828 4.524 -0.561 1.00 1.58 H new ATOM 94 N GLN A 7 16.858 1.479 0.638 1.00 4.74 N ATOM 95 CA GLN A 7 15.994 0.588 -0.191 1.00 5.49 C ATOM 96 C GLN A 7 14.597 0.483 0.428 1.00 5.42 C ATOM 97 O GLN A 7 14.454 0.272 1.616 1.00 5.85 O ATOM 98 CB GLN A 7 16.628 -0.800 -0.255 1.00 7.24 C ATOM 99 CG GLN A 7 17.337 -1.089 1.069 1.00 7.83 C ATOM 100 CD GLN A 7 17.480 -2.602 1.248 1.00 9.42 C ATOM 101 OE1 GLN A 7 18.150 -3.268 0.483 1.00 10.19 O ATOM 102 NE2 GLN A 7 16.870 -3.183 2.243 1.00 10.11 N ATOM 0 H GLN A 7 16.542 1.630 1.596 1.00 4.74 H new ATOM 0 HA GLN A 7 15.904 1.004 -1.195 1.00 5.49 H new ATOM 0 HB2 GLN A 7 15.864 -1.554 -0.444 1.00 7.24 H new ATOM 0 HB3 GLN A 7 17.338 -0.851 -1.081 1.00 7.24 H new ATOM 0 HG2 GLN A 7 18.319 -0.616 1.079 1.00 7.83 H new ATOM 0 HG3 GLN A 7 16.770 -0.665 1.898 1.00 7.83 H new ATOM 0 HE21 GLN A 7 16.306 -2.630 2.889 1.00 10.11 H new ATOM 0 HE22 GLN A 7 16.957 -4.191 2.376 1.00 10.11 H new ATOM 111 N ASN A 8 13.594 0.634 -0.393 1.00 5.17 N ATOM 112 CA ASN A 8 12.198 0.546 0.129 1.00 5.14 C ATOM 113 C ASN A 8 12.065 1.357 1.422 1.00 4.23 C ATOM 114 O ASN A 8 12.161 0.819 2.508 1.00 5.01 O ATOM 115 CB ASN A 8 11.864 -0.918 0.409 1.00 6.73 C ATOM 116 CG ASN A 8 11.983 -1.721 -0.888 1.00 7.74 C ATOM 117 OD1 ASN A 8 11.608 -1.265 -1.950 1.00 7.66 O ATOM 118 ND2 ASN A 8 12.499 -2.919 -0.846 1.00 8.94 N ATOM 0 H ASN A 8 13.677 0.813 -1.394 1.00 5.17 H new ATOM 0 HA ASN A 8 11.509 0.951 -0.612 1.00 5.14 H new ATOM 0 HB2 ASN A 8 12.542 -1.320 1.162 1.00 6.73 H new ATOM 0 HB3 ASN A 8 10.854 -1.002 0.811 1.00 6.73 H new ATOM 0 HD21 ASN A 8 12.586 -3.467 -1.702 1.00 8.94 H new ATOM 0 HD22 ASN A 8 12.816 -3.307 0.043 1.00 8.94 H new ATOM 125 N ASN A 9 11.845 2.636 1.277 1.00 2.88 N ATOM 126 CA ASN A 9 11.702 3.497 2.487 1.00 2.55 C ATOM 127 C ASN A 9 11.372 4.936 2.076 1.00 1.83 C ATOM 128 O ASN A 9 11.770 5.878 2.731 1.00 2.75 O ATOM 129 CB ASN A 9 13.015 3.482 3.269 1.00 3.70 C ATOM 130 CG ASN A 9 14.185 3.649 2.297 1.00 4.02 C ATOM 131 OD1 ASN A 9 14.085 4.337 1.300 1.00 3.32 O ATOM 132 ND2 ASN A 9 15.310 3.037 2.550 1.00 5.41 N ATOM 0 H ASN A 9 11.759 3.119 0.383 1.00 2.88 H new ATOM 0 HA ASN A 9 10.893 3.112 3.108 1.00 2.55 H new ATOM 0 HB2 ASN A 9 13.022 4.285 4.006 1.00 3.70 H new ATOM 0 HB3 ASN A 9 13.114 2.545 3.818 1.00 3.70 H new ATOM 0 HD21 ASN A 9 16.100 3.137 1.912 1.00 5.41 H new ATOM 0 HD22 ASN A 9 15.399 2.458 3.385 1.00 5.41 H new ATOM 139 N ASP A 10 10.648 5.074 0.997 1.00 1.26 N ATOM 140 CA ASP A 10 10.287 6.446 0.531 1.00 2.25 C ATOM 141 C ASP A 10 8.889 6.445 -0.101 1.00 2.12 C ATOM 142 O ASP A 10 8.467 7.428 -0.677 1.00 3.14 O ATOM 143 CB ASP A 10 11.312 6.907 -0.503 1.00 3.63 C ATOM 144 CG ASP A 10 11.471 5.827 -1.575 1.00 3.83 C ATOM 145 OD1 ASP A 10 10.469 5.545 -2.211 1.00 3.66 O ATOM 146 OD2 ASP A 10 12.584 5.344 -1.697 1.00 4.58 O ATOM 0 H ASP A 10 10.295 4.308 0.424 1.00 1.26 H new ATOM 0 HA ASP A 10 10.285 7.124 1.384 1.00 2.25 H new ATOM 0 HB2 ASP A 10 10.990 7.843 -0.959 1.00 3.63 H new ATOM 0 HB3 ASP A 10 12.270 7.101 -0.021 1.00 3.63 H new ATOM 151 N ALA A 11 8.203 5.342 0.019 1.00 1.25 N ATOM 152 CA ALA A 11 6.832 5.264 -0.570 1.00 1.37 C ATOM 153 C ALA A 11 6.146 3.964 -0.140 1.00 0.58 C ATOM 154 O ALA A 11 6.751 3.118 0.487 1.00 1.02 O ATOM 155 CB ALA A 11 6.938 5.302 -2.094 1.00 2.50 C ATOM 0 H ALA A 11 8.526 4.499 0.493 1.00 1.25 H new ATOM 0 HA ALA A 11 6.242 6.109 -0.217 1.00 1.37 H new ATOM 0 HB1 ALA A 11 5.940 5.245 -2.530 1.00 2.50 H new ATOM 0 HB2 ALA A 11 7.416 6.232 -2.402 1.00 2.50 H new ATOM 0 HB3 ALA A 11 7.533 4.456 -2.439 1.00 2.50 H new ATOM 161 N LEU A 12 4.895 3.834 -0.488 1.00 0.36 N ATOM 162 CA LEU A 12 4.156 2.595 -0.112 1.00 1.00 C ATOM 163 C LEU A 12 4.729 1.393 -0.873 1.00 0.99 C ATOM 164 O LEU A 12 5.820 1.458 -1.403 1.00 0.66 O ATOM 165 CB LEU A 12 2.677 2.774 -0.455 1.00 1.72 C ATOM 166 CG LEU A 12 2.069 3.815 0.491 1.00 1.95 C ATOM 167 CD1 LEU A 12 1.023 4.635 -0.265 1.00 2.20 C ATOM 168 CD2 LEU A 12 1.394 3.099 1.662 1.00 2.55 C ATOM 0 H LEU A 12 4.357 4.525 -1.011 1.00 0.36 H new ATOM 0 HA LEU A 12 4.264 2.414 0.957 1.00 1.00 H new ATOM 0 HB2 LEU A 12 2.567 3.096 -1.490 1.00 1.72 H new ATOM 0 HB3 LEU A 12 2.150 1.825 -0.359 1.00 1.72 H new ATOM 0 HG LEU A 12 2.854 4.473 0.864 1.00 1.95 H new ATOM 0 HD11 LEU A 12 0.588 5.377 0.405 1.00 2.20 H new ATOM 0 HD12 LEU A 12 1.496 5.140 -1.107 1.00 2.20 H new ATOM 0 HD13 LEU A 12 0.238 3.974 -0.632 1.00 2.20 H new ATOM 0 HD21 LEU A 12 0.960 3.836 2.338 1.00 2.55 H new ATOM 0 HD22 LEU A 12 0.608 2.445 1.284 1.00 2.55 H new ATOM 0 HD23 LEU A 12 2.133 2.505 2.200 1.00 2.55 H new ATOM 180 N SER A 13 3.983 0.320 -0.915 1.00 1.37 N ATOM 181 CA SER A 13 4.487 -0.887 -1.634 1.00 1.44 C ATOM 182 C SER A 13 4.379 -0.674 -3.171 1.00 1.07 C ATOM 183 O SER A 13 3.456 -0.035 -3.632 1.00 0.76 O ATOM 184 CB SER A 13 3.633 -2.090 -1.233 1.00 1.60 C ATOM 185 OG SER A 13 4.528 -2.929 -0.518 1.00 1.93 O ATOM 0 H SER A 13 3.061 0.227 -0.490 1.00 1.37 H new ATOM 0 HA SER A 13 5.531 -1.059 -1.370 1.00 1.44 H new ATOM 0 HB2 SER A 13 2.788 -1.790 -0.614 1.00 1.60 H new ATOM 0 HB3 SER A 13 3.224 -2.597 -2.107 1.00 1.60 H new ATOM 0 HG SER A 13 4.054 -3.733 -0.219 1.00 1.93 H new ATOM 191 N PRO A 14 5.328 -1.214 -3.945 1.00 1.20 N ATOM 192 CA PRO A 14 5.283 -1.069 -5.410 1.00 0.94 C ATOM 193 C PRO A 14 4.046 -1.771 -5.987 1.00 0.50 C ATOM 194 O PRO A 14 3.379 -1.249 -6.857 1.00 0.52 O ATOM 195 CB PRO A 14 6.555 -1.752 -5.925 1.00 1.19 C ATOM 196 CG PRO A 14 7.244 -2.429 -4.704 1.00 1.66 C ATOM 197 CD PRO A 14 6.492 -1.975 -3.442 1.00 1.66 C ATOM 0 HA PRO A 14 5.226 -0.021 -5.706 1.00 0.94 H new ATOM 0 HB2 PRO A 14 6.312 -2.492 -6.688 1.00 1.19 H new ATOM 0 HB3 PRO A 14 7.222 -1.024 -6.388 1.00 1.19 H new ATOM 0 HG2 PRO A 14 7.214 -3.514 -4.799 1.00 1.66 H new ATOM 0 HG3 PRO A 14 8.294 -2.143 -4.649 1.00 1.66 H new ATOM 0 HD2 PRO A 14 6.176 -2.828 -2.842 1.00 1.66 H new ATOM 0 HD3 PRO A 14 7.125 -1.355 -2.807 1.00 1.66 H new ATOM 205 N ALA A 15 3.772 -2.945 -5.484 1.00 0.56 N ATOM 206 CA ALA A 15 2.593 -3.710 -5.991 1.00 0.46 C ATOM 207 C ALA A 15 1.286 -2.994 -5.636 1.00 0.38 C ATOM 208 O ALA A 15 0.224 -3.388 -6.074 1.00 0.66 O ATOM 209 CB ALA A 15 2.596 -5.103 -5.361 1.00 0.92 C ATOM 0 H ALA A 15 4.309 -3.406 -4.749 1.00 0.56 H new ATOM 0 HA ALA A 15 2.662 -3.785 -7.076 1.00 0.46 H new ATOM 0 HB1 ALA A 15 1.739 -5.669 -5.725 1.00 0.92 H new ATOM 0 HB2 ALA A 15 3.515 -5.623 -5.631 1.00 0.92 H new ATOM 0 HB3 ALA A 15 2.536 -5.012 -4.276 1.00 0.92 H new ATOM 215 N ILE A 16 1.388 -1.956 -4.853 1.00 0.24 N ATOM 216 CA ILE A 16 0.152 -1.213 -4.464 1.00 0.19 C ATOM 217 C ILE A 16 -0.726 -0.969 -5.697 1.00 0.25 C ATOM 218 O ILE A 16 -1.921 -0.781 -5.582 1.00 0.41 O ATOM 219 CB ILE A 16 0.545 0.127 -3.842 1.00 0.12 C ATOM 220 CG1 ILE A 16 -0.723 0.858 -3.380 1.00 0.38 C ATOM 221 CG2 ILE A 16 1.274 0.978 -4.884 1.00 0.44 C ATOM 222 CD1 ILE A 16 -0.325 2.142 -2.653 1.00 0.29 C ATOM 0 H ILE A 16 2.260 -1.592 -4.469 1.00 0.24 H new ATOM 0 HA ILE A 16 -0.410 -1.804 -3.741 1.00 0.19 H new ATOM 0 HB ILE A 16 1.203 -0.042 -2.989 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -1.355 1.092 -4.237 1.00 0.38 H new ATOM 0 HG13 ILE A 16 -1.306 0.217 -2.719 1.00 0.38 H new ATOM 0 HG21 ILE A 16 1.555 1.934 -4.441 1.00 0.44 H new ATOM 0 HG22 ILE A 16 2.170 0.456 -5.218 1.00 0.44 H new ATOM 0 HG23 ILE A 16 0.617 1.152 -5.736 1.00 0.44 H new ATOM 0 HD11 ILE A 16 -1.222 2.666 -2.322 1.00 0.29 H new ATOM 0 HD12 ILE A 16 0.290 1.895 -1.788 1.00 0.29 H new ATOM 0 HD13 ILE A 16 0.241 2.783 -3.329 1.00 0.29 H new ATOM 234 N ARG A 17 -0.115 -0.978 -6.849 1.00 0.18 N ATOM 235 CA ARG A 17 -0.903 -0.753 -8.097 1.00 0.31 C ATOM 236 C ARG A 17 -1.519 -2.070 -8.577 1.00 0.39 C ATOM 237 O ARG A 17 -2.713 -2.162 -8.787 1.00 0.44 O ATOM 238 CB ARG A 17 0.022 -0.197 -9.181 1.00 0.31 C ATOM 239 CG ARG A 17 0.648 1.108 -8.684 1.00 0.40 C ATOM 240 CD ARG A 17 1.023 1.975 -9.888 1.00 0.70 C ATOM 241 NE ARG A 17 1.424 1.087 -11.016 1.00 1.63 N ATOM 242 CZ ARG A 17 1.401 1.552 -12.235 1.00 2.24 C ATOM 243 NH1 ARG A 17 2.131 2.593 -12.527 1.00 2.60 N ATOM 244 NH2 ARG A 17 0.649 0.959 -13.121 1.00 2.97 N ATOM 0 H ARG A 17 0.885 -1.129 -6.982 1.00 0.18 H new ATOM 0 HA ARG A 17 -1.704 -0.043 -7.893 1.00 0.31 H new ATOM 0 HB2 ARG A 17 0.801 -0.921 -9.418 1.00 0.31 H new ATOM 0 HB3 ARG A 17 -0.538 -0.020 -10.099 1.00 0.31 H new ATOM 0 HG2 ARG A 17 -0.053 1.640 -8.041 1.00 0.40 H new ATOM 0 HG3 ARG A 17 1.533 0.896 -8.084 1.00 0.40 H new ATOM 0 HD2 ARG A 17 0.178 2.599 -10.181 1.00 0.70 H new ATOM 0 HD3 ARG A 17 1.841 2.647 -9.628 1.00 0.70 H new ATOM 0 HE ARG A 17 1.713 0.125 -10.837 1.00 1.63 H new ATOM 0 HH11 ARG A 17 2.707 3.030 -11.808 1.00 2.60 H new ATOM 0 HH12 ARG A 17 2.126 2.970 -13.475 1.00 2.60 H new ATOM 0 HH21 ARG A 17 0.092 0.147 -12.856 1.00 2.97 H new ATOM 0 HH22 ARG A 17 0.618 1.308 -14.079 1.00 2.97 H new ATOM 258 N ARG A 18 -0.691 -3.065 -8.741 1.00 0.46 N ATOM 259 CA ARG A 18 -1.212 -4.385 -9.206 1.00 0.57 C ATOM 260 C ARG A 18 -1.898 -5.116 -8.046 1.00 0.51 C ATOM 261 O ARG A 18 -2.225 -6.282 -8.150 1.00 0.49 O ATOM 262 CB ARG A 18 -0.048 -5.228 -9.724 1.00 0.70 C ATOM 263 CG ARG A 18 0.759 -4.404 -10.731 1.00 0.68 C ATOM 264 CD ARG A 18 1.490 -5.350 -11.685 1.00 0.77 C ATOM 265 NE ARG A 18 2.373 -6.251 -10.893 1.00 1.03 N ATOM 266 CZ ARG A 18 3.422 -6.780 -11.460 1.00 1.55 C ATOM 267 NH1 ARG A 18 3.575 -6.650 -12.750 1.00 1.57 N ATOM 268 NH2 ARG A 18 4.284 -7.420 -10.719 1.00 2.60 N ATOM 0 H ARG A 18 0.315 -3.024 -8.575 1.00 0.46 H new ATOM 0 HA ARG A 18 -1.938 -4.227 -10.004 1.00 0.57 H new ATOM 0 HB2 ARG A 18 0.589 -5.538 -8.896 1.00 0.70 H new ATOM 0 HB3 ARG A 18 -0.422 -6.136 -10.196 1.00 0.70 H new ATOM 0 HG2 ARG A 18 0.098 -3.743 -11.291 1.00 0.68 H new ATOM 0 HG3 ARG A 18 1.475 -3.770 -10.209 1.00 0.68 H new ATOM 0 HD2 ARG A 18 0.771 -5.936 -12.258 1.00 0.77 H new ATOM 0 HD3 ARG A 18 2.080 -4.779 -12.402 1.00 0.77 H new ATOM 0 HE ARG A 18 2.159 -6.453 -9.916 1.00 1.03 H new ATOM 0 HH11 ARG A 18 2.881 -6.141 -13.297 1.00 1.57 H new ATOM 0 HH12 ARG A 18 4.389 -7.057 -13.211 1.00 1.57 H new ATOM 0 HH21 ARG A 18 4.132 -7.500 -9.714 1.00 2.60 H new ATOM 0 HH22 ARG A 18 5.110 -7.840 -11.145 1.00 2.60 H new ATOM 282 N LEU A 19 -2.101 -4.412 -6.966 1.00 0.55 N ATOM 283 CA LEU A 19 -2.766 -5.048 -5.790 1.00 0.49 C ATOM 284 C LEU A 19 -4.270 -5.182 -6.044 1.00 0.47 C ATOM 285 O LEU A 19 -4.855 -6.217 -5.797 1.00 0.53 O ATOM 286 CB LEU A 19 -2.533 -4.179 -4.555 1.00 0.49 C ATOM 287 CG LEU A 19 -2.820 -5.004 -3.299 1.00 0.42 C ATOM 288 CD1 LEU A 19 -1.525 -5.664 -2.823 1.00 0.45 C ATOM 289 CD2 LEU A 19 -3.347 -4.081 -2.199 1.00 0.37 C ATOM 0 H LEU A 19 -1.839 -3.434 -6.846 1.00 0.55 H new ATOM 0 HA LEU A 19 -2.345 -6.041 -5.631 1.00 0.49 H new ATOM 0 HB2 LEU A 19 -1.505 -3.816 -4.539 1.00 0.49 H new ATOM 0 HB3 LEU A 19 -3.180 -3.302 -4.585 1.00 0.49 H new ATOM 0 HG LEU A 19 -3.562 -5.770 -3.524 1.00 0.42 H new ATOM 0 HD11 LEU A 19 -1.725 -6.253 -1.928 1.00 0.45 H new ATOM 0 HD12 LEU A 19 -1.139 -6.315 -3.607 1.00 0.45 H new ATOM 0 HD13 LEU A 19 -0.787 -4.895 -2.594 1.00 0.45 H new ATOM 0 HD21 LEU A 19 -3.553 -4.665 -1.302 1.00 0.37 H new ATOM 0 HD22 LEU A 19 -2.600 -3.320 -1.973 1.00 0.37 H new ATOM 0 HD23 LEU A 19 -4.265 -3.599 -2.537 1.00 0.37 H new ATOM 301 N LEU A 20 -4.864 -4.128 -6.533 1.00 0.45 N ATOM 302 CA LEU A 20 -6.328 -4.175 -6.813 1.00 0.43 C ATOM 303 C LEU A 20 -6.647 -5.347 -7.745 1.00 0.34 C ATOM 304 O LEU A 20 -7.704 -5.940 -7.661 1.00 0.34 O ATOM 305 CB LEU A 20 -6.751 -2.866 -7.477 1.00 0.56 C ATOM 306 CG LEU A 20 -6.565 -1.718 -6.483 1.00 0.63 C ATOM 307 CD1 LEU A 20 -6.228 -0.437 -7.251 1.00 0.84 C ATOM 308 CD2 LEU A 20 -7.865 -1.512 -5.705 1.00 0.62 C ATOM 0 H LEU A 20 -4.404 -3.243 -6.749 1.00 0.45 H new ATOM 0 HA LEU A 20 -6.871 -4.309 -5.877 1.00 0.43 H new ATOM 0 HB2 LEU A 20 -6.155 -2.689 -8.372 1.00 0.56 H new ATOM 0 HB3 LEU A 20 -7.792 -2.924 -7.794 1.00 0.56 H new ATOM 0 HG LEU A 20 -5.756 -1.956 -5.792 1.00 0.63 H new ATOM 0 HD11 LEU A 20 -6.094 0.385 -6.547 1.00 0.84 H new ATOM 0 HD12 LEU A 20 -5.308 -0.583 -7.817 1.00 0.84 H new ATOM 0 HD13 LEU A 20 -7.041 -0.199 -7.936 1.00 0.84 H new ATOM 0 HD21 LEU A 20 -7.738 -0.695 -4.995 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -8.670 -1.268 -6.399 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -8.115 -2.426 -5.166 1.00 0.62 H new ATOM 320 N ALA A 21 -5.724 -5.654 -8.613 1.00 0.32 N ATOM 321 CA ALA A 21 -5.953 -6.787 -9.556 1.00 0.33 C ATOM 322 C ALA A 21 -5.507 -8.103 -8.911 1.00 0.17 C ATOM 323 O ALA A 21 -5.829 -9.173 -9.388 1.00 0.31 O ATOM 324 CB ALA A 21 -5.149 -6.547 -10.832 1.00 0.46 C ATOM 0 H ALA A 21 -4.829 -5.175 -8.711 1.00 0.32 H new ATOM 0 HA ALA A 21 -7.015 -6.850 -9.794 1.00 0.33 H new ATOM 0 HB1 ALA A 21 -5.312 -7.372 -11.525 1.00 0.46 H new ATOM 0 HB2 ALA A 21 -5.471 -5.614 -11.295 1.00 0.46 H new ATOM 0 HB3 ALA A 21 -4.089 -6.483 -10.587 1.00 0.46 H new ATOM 330 N GLU A 22 -4.776 -7.992 -7.835 1.00 0.17 N ATOM 331 CA GLU A 22 -4.299 -9.225 -7.142 1.00 0.40 C ATOM 332 C GLU A 22 -5.437 -9.846 -6.325 1.00 0.44 C ATOM 333 O GLU A 22 -5.366 -10.995 -5.936 1.00 0.97 O ATOM 334 CB GLU A 22 -3.146 -8.859 -6.212 1.00 0.56 C ATOM 335 CG GLU A 22 -2.515 -10.143 -5.668 1.00 0.79 C ATOM 336 CD GLU A 22 -1.251 -9.792 -4.881 1.00 1.73 C ATOM 337 OE1 GLU A 22 -1.419 -9.242 -3.805 1.00 2.73 O ATOM 338 OE2 GLU A 22 -0.189 -10.093 -5.400 1.00 1.84 O ATOM 0 H GLU A 22 -4.490 -7.111 -7.408 1.00 0.17 H new ATOM 0 HA GLU A 22 -3.963 -9.949 -7.885 1.00 0.40 H new ATOM 0 HB2 GLU A 22 -2.401 -8.272 -6.749 1.00 0.56 H new ATOM 0 HB3 GLU A 22 -3.507 -8.240 -5.391 1.00 0.56 H new ATOM 0 HG2 GLU A 22 -3.223 -10.666 -5.026 1.00 0.79 H new ATOM 0 HG3 GLU A 22 -2.271 -10.818 -6.489 1.00 0.79 H new ATOM 345 N HIS A 23 -6.458 -9.067 -6.084 1.00 0.10 N ATOM 346 CA HIS A 23 -7.618 -9.586 -5.295 1.00 0.15 C ATOM 347 C HIS A 23 -8.933 -9.180 -5.968 1.00 0.18 C ATOM 348 O HIS A 23 -10.001 -9.389 -5.428 1.00 0.14 O ATOM 349 CB HIS A 23 -7.566 -8.999 -3.886 1.00 0.19 C ATOM 350 CG HIS A 23 -6.149 -9.145 -3.327 1.00 0.16 C ATOM 351 ND1 HIS A 23 -5.529 -10.230 -3.215 1.00 0.22 N ATOM 352 CD2 HIS A 23 -5.283 -8.180 -2.848 1.00 0.11 C ATOM 353 CE1 HIS A 23 -4.373 -10.053 -2.717 1.00 0.20 C ATOM 354 NE2 HIS A 23 -4.129 -8.772 -2.452 1.00 0.09 N ATOM 0 H HIS A 23 -6.541 -8.100 -6.396 1.00 0.10 H new ATOM 0 HA HIS A 23 -7.565 -10.674 -5.247 1.00 0.15 H new ATOM 0 HB2 HIS A 23 -7.854 -7.948 -3.907 1.00 0.19 H new ATOM 0 HB3 HIS A 23 -8.278 -9.512 -3.240 1.00 0.19 H new ATOM 0 HD2 HIS A 23 -5.492 -7.122 -2.797 1.00 0.11 H new ATOM 0 HE1 HIS A 23 -3.669 -10.851 -2.530 1.00 0.20 H new ATOM 0 HE2 HIS A 23 -3.292 -8.346 -2.054 1.00 0.09 H new ATOM 362 N ASN A 24 -8.824 -8.606 -7.136 1.00 0.38 N ATOM 363 CA ASN A 24 -10.057 -8.178 -7.860 1.00 0.42 C ATOM 364 C ASN A 24 -10.972 -7.384 -6.922 1.00 0.32 C ATOM 365 O ASN A 24 -11.979 -7.888 -6.465 1.00 0.38 O ATOM 366 CB ASN A 24 -10.794 -9.416 -8.366 1.00 0.48 C ATOM 367 CG ASN A 24 -9.801 -10.344 -9.068 1.00 1.32 C ATOM 368 OD1 ASN A 24 -9.160 -9.971 -10.031 1.00 1.72 O ATOM 369 ND2 ASN A 24 -9.642 -11.559 -8.619 1.00 2.57 N ATOM 0 H ASN A 24 -7.945 -8.416 -7.617 1.00 0.38 H new ATOM 0 HA ASN A 24 -9.779 -7.542 -8.701 1.00 0.42 H new ATOM 0 HB2 ASN A 24 -11.269 -9.936 -7.534 1.00 0.48 H new ATOM 0 HB3 ASN A 24 -11.587 -9.125 -9.055 1.00 0.48 H new ATOM 0 HD21 ASN A 24 -8.983 -12.189 -9.076 1.00 2.57 H new ATOM 0 HD22 ASN A 24 -10.177 -11.878 -7.811 1.00 2.57 H new ATOM 376 N LEU A 25 -10.597 -6.157 -6.658 1.00 0.39 N ATOM 377 CA LEU A 25 -11.429 -5.305 -5.751 1.00 0.34 C ATOM 378 C LEU A 25 -11.612 -3.911 -6.360 1.00 0.37 C ATOM 379 O LEU A 25 -10.718 -3.385 -6.993 1.00 0.53 O ATOM 380 CB LEU A 25 -10.725 -5.180 -4.398 1.00 0.34 C ATOM 381 CG LEU A 25 -10.642 -6.564 -3.735 1.00 0.56 C ATOM 382 CD1 LEU A 25 -9.823 -6.453 -2.448 1.00 0.25 C ATOM 383 CD2 LEU A 25 -12.053 -7.065 -3.390 1.00 1.04 C ATOM 0 H LEU A 25 -9.758 -5.710 -7.028 1.00 0.39 H new ATOM 0 HA LEU A 25 -12.408 -5.766 -5.621 1.00 0.34 H new ATOM 0 HB2 LEU A 25 -9.725 -4.769 -4.533 1.00 0.34 H new ATOM 0 HB3 LEU A 25 -11.270 -4.489 -3.755 1.00 0.34 H new ATOM 0 HG LEU A 25 -10.169 -7.265 -4.422 1.00 0.56 H new ATOM 0 HD11 LEU A 25 -9.760 -7.431 -1.972 1.00 0.25 H new ATOM 0 HD12 LEU A 25 -8.820 -6.099 -2.685 1.00 0.25 H new ATOM 0 HD13 LEU A 25 -10.305 -5.750 -1.769 1.00 0.25 H new ATOM 0 HD21 LEU A 25 -11.986 -8.046 -2.920 1.00 1.04 H new ATOM 0 HD22 LEU A 25 -12.529 -6.366 -2.703 1.00 1.04 H new ATOM 0 HD23 LEU A 25 -12.646 -7.139 -4.302 1.00 1.04 H new ATOM 395 N ASP A 26 -12.768 -3.344 -6.154 1.00 0.27 N ATOM 396 CA ASP A 26 -13.029 -1.986 -6.714 1.00 0.33 C ATOM 397 C ASP A 26 -12.699 -0.912 -5.671 1.00 0.35 C ATOM 398 O ASP A 26 -13.367 -0.795 -4.663 1.00 0.34 O ATOM 399 CB ASP A 26 -14.501 -1.880 -7.106 1.00 0.38 C ATOM 400 CG ASP A 26 -15.337 -2.766 -6.179 1.00 1.46 C ATOM 401 OD1 ASP A 26 -15.139 -2.635 -4.982 1.00 2.74 O ATOM 402 OD2 ASP A 26 -16.124 -3.524 -6.719 1.00 1.83 O ATOM 0 H ASP A 26 -13.538 -3.757 -5.627 1.00 0.27 H new ATOM 0 HA ASP A 26 -12.400 -1.832 -7.590 1.00 0.33 H new ATOM 0 HB2 ASP A 26 -14.834 -0.845 -7.036 1.00 0.38 H new ATOM 0 HB3 ASP A 26 -14.636 -2.189 -8.143 1.00 0.38 H new ATOM 407 N ALA A 27 -11.675 -0.152 -5.939 1.00 0.41 N ATOM 408 CA ALA A 27 -11.284 0.920 -4.977 1.00 0.47 C ATOM 409 C ALA A 27 -12.458 1.878 -4.749 1.00 0.43 C ATOM 410 O ALA A 27 -12.467 2.639 -3.802 1.00 0.53 O ATOM 411 CB ALA A 27 -10.099 1.694 -5.549 1.00 0.52 C ATOM 0 H ALA A 27 -11.095 -0.224 -6.775 1.00 0.41 H new ATOM 0 HA ALA A 27 -11.008 0.467 -4.025 1.00 0.47 H new ATOM 0 HB1 ALA A 27 -9.807 2.479 -4.852 1.00 0.52 H new ATOM 0 HB2 ALA A 27 -9.261 1.015 -5.702 1.00 0.52 H new ATOM 0 HB3 ALA A 27 -10.382 2.141 -6.502 1.00 0.52 H new ATOM 417 N SER A 28 -13.423 1.820 -5.625 1.00 0.31 N ATOM 418 CA SER A 28 -14.603 2.722 -5.475 1.00 0.31 C ATOM 419 C SER A 28 -15.403 2.345 -4.224 1.00 0.27 C ATOM 420 O SER A 28 -16.216 3.112 -3.749 1.00 0.22 O ATOM 421 CB SER A 28 -15.494 2.588 -6.709 1.00 0.42 C ATOM 422 OG SER A 28 -14.718 3.146 -7.760 1.00 1.56 O ATOM 0 H SER A 28 -13.448 1.195 -6.430 1.00 0.31 H new ATOM 0 HA SER A 28 -14.258 3.751 -5.375 1.00 0.31 H new ATOM 0 HB2 SER A 28 -15.744 1.546 -6.908 1.00 0.42 H new ATOM 0 HB3 SER A 28 -16.435 3.123 -6.581 1.00 0.42 H new ATOM 0 HG SER A 28 -15.221 3.098 -8.599 1.00 1.56 H new ATOM 428 N ALA A 29 -15.155 1.167 -3.719 1.00 0.43 N ATOM 429 CA ALA A 29 -15.894 0.721 -2.501 1.00 0.48 C ATOM 430 C ALA A 29 -15.100 1.074 -1.238 1.00 0.50 C ATOM 431 O ALA A 29 -15.627 1.048 -0.145 1.00 0.77 O ATOM 432 CB ALA A 29 -16.100 -0.791 -2.569 1.00 0.60 C ATOM 0 H ALA A 29 -14.480 0.499 -4.092 1.00 0.43 H new ATOM 0 HA ALA A 29 -16.858 1.227 -2.461 1.00 0.48 H new ATOM 0 HB1 ALA A 29 -16.639 -1.125 -1.683 1.00 0.60 H new ATOM 0 HB2 ALA A 29 -16.677 -1.040 -3.460 1.00 0.60 H new ATOM 0 HB3 ALA A 29 -15.131 -1.289 -2.613 1.00 0.60 H new ATOM 438 N ILE A 30 -13.849 1.394 -1.419 1.00 0.35 N ATOM 439 CA ILE A 30 -13.007 1.749 -0.238 1.00 0.33 C ATOM 440 C ILE A 30 -12.995 3.269 -0.037 1.00 0.33 C ATOM 441 O ILE A 30 -12.892 4.021 -0.986 1.00 0.32 O ATOM 442 CB ILE A 30 -11.572 1.254 -0.479 1.00 0.38 C ATOM 443 CG1 ILE A 30 -11.600 -0.247 -0.843 1.00 0.52 C ATOM 444 CG2 ILE A 30 -10.722 1.478 0.786 1.00 0.38 C ATOM 445 CD1 ILE A 30 -12.343 -1.043 0.239 1.00 0.57 C ATOM 0 H ILE A 30 -13.376 1.426 -2.322 1.00 0.35 H new ATOM 0 HA ILE A 30 -13.419 1.278 0.654 1.00 0.33 H new ATOM 0 HB ILE A 30 -11.128 1.813 -1.303 1.00 0.38 H new ATOM 0 HG12 ILE A 30 -12.090 -0.385 -1.807 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -10.582 -0.622 -0.946 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -9.706 1.125 0.609 1.00 0.38 H new ATOM 0 HG22 ILE A 30 -10.700 2.541 1.026 1.00 0.38 H new ATOM 0 HG23 ILE A 30 -11.157 0.927 1.619 1.00 0.38 H new ATOM 0 HD11 ILE A 30 -12.355 -2.099 -0.030 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -11.835 -0.918 1.196 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -13.367 -0.678 0.321 1.00 0.57 H new ATOM 457 N LYS A 31 -13.101 3.686 1.194 1.00 0.49 N ATOM 458 CA LYS A 31 -13.095 5.152 1.476 1.00 0.66 C ATOM 459 C LYS A 31 -11.654 5.654 1.620 1.00 0.64 C ATOM 460 O LYS A 31 -11.060 5.550 2.675 1.00 0.98 O ATOM 461 CB LYS A 31 -13.860 5.414 2.772 1.00 0.88 C ATOM 462 CG LYS A 31 -15.292 4.893 2.623 1.00 1.26 C ATOM 463 CD LYS A 31 -16.078 5.214 3.896 1.00 1.57 C ATOM 464 CE LYS A 31 -16.916 3.996 4.289 1.00 2.72 C ATOM 465 NZ LYS A 31 -17.832 3.612 3.178 1.00 3.26 N ATOM 0 H LYS A 31 -13.191 3.083 2.012 1.00 0.49 H new ATOM 0 HA LYS A 31 -13.572 5.681 0.651 1.00 0.66 H new ATOM 0 HB2 LYS A 31 -13.365 4.919 3.607 1.00 0.88 H new ATOM 0 HB3 LYS A 31 -13.869 6.481 2.994 1.00 0.88 H new ATOM 0 HG2 LYS A 31 -15.771 5.354 1.759 1.00 1.26 H new ATOM 0 HG3 LYS A 31 -15.284 3.817 2.447 1.00 1.26 H new ATOM 0 HD2 LYS A 31 -15.395 5.476 4.704 1.00 1.57 H new ATOM 0 HD3 LYS A 31 -16.723 6.077 3.732 1.00 1.57 H new ATOM 0 HE2 LYS A 31 -16.261 3.160 4.533 1.00 2.72 H new ATOM 0 HE3 LYS A 31 -17.495 4.219 5.185 1.00 2.72 H new ATOM 0 HZ1 LYS A 31 -18.618 3.045 3.556 1.00 3.26 H new ATOM 0 HZ2 LYS A 31 -18.209 4.470 2.727 1.00 3.26 H new ATOM 0 HZ3 LYS A 31 -17.309 3.053 2.474 1.00 3.26 H new ATOM 479 N GLY A 32 -11.124 6.190 0.554 1.00 0.48 N ATOM 480 CA GLY A 32 -9.725 6.700 0.609 1.00 0.41 C ATOM 481 C GLY A 32 -9.650 7.978 1.448 1.00 0.41 C ATOM 482 O GLY A 32 -9.737 9.071 0.924 1.00 0.33 O ATOM 0 H GLY A 32 -11.594 6.296 -0.345 1.00 0.48 H new ATOM 0 HA2 GLY A 32 -9.071 5.939 1.036 1.00 0.41 H new ATOM 0 HA3 GLY A 32 -9.365 6.899 -0.400 1.00 0.41 H new ATOM 486 N THR A 33 -9.488 7.809 2.736 1.00 0.80 N ATOM 487 CA THR A 33 -9.402 9.001 3.635 1.00 0.86 C ATOM 488 C THR A 33 -7.951 9.226 4.075 1.00 1.37 C ATOM 489 O THR A 33 -7.695 9.649 5.186 1.00 2.04 O ATOM 490 CB THR A 33 -10.275 8.760 4.869 1.00 1.08 C ATOM 491 OG1 THR A 33 -10.036 7.401 5.223 1.00 1.59 O ATOM 492 CG2 THR A 33 -11.761 8.832 4.527 1.00 0.99 C ATOM 0 H THR A 33 -9.412 6.905 3.202 1.00 0.80 H new ATOM 0 HA THR A 33 -9.750 9.883 3.098 1.00 0.86 H new ATOM 0 HB THR A 33 -10.044 9.497 5.638 1.00 1.08 H new ATOM 0 HG1 THR A 33 -10.566 7.171 6.015 1.00 1.59 H new ATOM 0 HG21 THR A 33 -12.350 8.656 5.427 1.00 0.99 H new ATOM 0 HG22 THR A 33 -11.995 9.819 4.127 1.00 0.99 H new ATOM 0 HG23 THR A 33 -12.000 8.073 3.782 1.00 0.99 H new ATOM 500 N GLY A 34 -7.032 8.937 3.195 1.00 1.08 N ATOM 501 CA GLY A 34 -5.597 9.128 3.546 1.00 1.56 C ATOM 502 C GLY A 34 -5.227 10.612 3.490 1.00 1.48 C ATOM 503 O GLY A 34 -6.076 11.460 3.303 1.00 1.10 O ATOM 0 H GLY A 34 -7.210 8.580 2.256 1.00 1.08 H new ATOM 0 HA2 GLY A 34 -5.405 8.736 4.545 1.00 1.56 H new ATOM 0 HA3 GLY A 34 -4.969 8.564 2.856 1.00 1.56 H new ATOM 507 N VAL A 35 -3.963 10.895 3.655 1.00 1.89 N ATOM 508 CA VAL A 35 -3.520 12.320 3.615 1.00 1.92 C ATOM 509 C VAL A 35 -3.923 12.961 2.282 1.00 1.84 C ATOM 510 O VAL A 35 -3.543 12.492 1.227 1.00 2.30 O ATOM 511 CB VAL A 35 -2.002 12.376 3.769 1.00 2.35 C ATOM 512 CG1 VAL A 35 -1.548 13.836 3.745 1.00 2.42 C ATOM 513 CG2 VAL A 35 -1.609 11.748 5.107 1.00 2.49 C ATOM 0 H VAL A 35 -3.224 10.210 3.814 1.00 1.89 H new ATOM 0 HA VAL A 35 -3.996 12.868 4.428 1.00 1.92 H new ATOM 0 HB VAL A 35 -1.528 11.830 2.953 1.00 2.35 H new ATOM 0 HG11 VAL A 35 -0.465 13.882 3.855 1.00 2.42 H new ATOM 0 HG12 VAL A 35 -1.836 14.291 2.798 1.00 2.42 H new ATOM 0 HG13 VAL A 35 -2.019 14.377 4.566 1.00 2.42 H new ATOM 0 HG21 VAL A 35 -0.526 11.785 5.222 1.00 2.49 H new ATOM 0 HG22 VAL A 35 -2.080 12.300 5.920 1.00 2.49 H new ATOM 0 HG23 VAL A 35 -1.941 10.710 5.133 1.00 2.49 H new ATOM 523 N GLY A 36 -4.681 14.019 2.360 1.00 1.84 N ATOM 524 CA GLY A 36 -5.114 14.701 1.108 1.00 1.84 C ATOM 525 C GLY A 36 -6.427 14.101 0.599 1.00 1.68 C ATOM 526 O GLY A 36 -7.068 14.652 -0.274 1.00 1.64 O ATOM 0 H GLY A 36 -5.017 14.438 3.227 1.00 1.84 H new ATOM 0 HA2 GLY A 36 -5.242 15.768 1.293 1.00 1.84 H new ATOM 0 HA3 GLY A 36 -4.341 14.600 0.346 1.00 1.84 H new ATOM 530 N GLY A 37 -6.801 12.982 1.156 1.00 1.70 N ATOM 531 CA GLY A 37 -8.068 12.334 0.717 1.00 1.71 C ATOM 532 C GLY A 37 -7.790 11.307 -0.383 1.00 1.34 C ATOM 533 O GLY A 37 -8.693 10.854 -1.056 1.00 1.58 O ATOM 0 H GLY A 37 -6.289 12.492 1.890 1.00 1.70 H new ATOM 0 HA2 GLY A 37 -8.547 11.846 1.566 1.00 1.71 H new ATOM 0 HA3 GLY A 37 -8.762 13.090 0.350 1.00 1.71 H new ATOM 537 N ARG A 38 -6.541 10.961 -0.542 1.00 0.89 N ATOM 538 CA ARG A 38 -6.187 9.964 -1.592 1.00 0.63 C ATOM 539 C ARG A 38 -6.428 8.544 -1.073 1.00 0.58 C ATOM 540 O ARG A 38 -6.642 8.340 0.106 1.00 0.70 O ATOM 541 CB ARG A 38 -4.713 10.128 -1.963 1.00 0.28 C ATOM 542 CG ARG A 38 -4.609 10.954 -3.248 1.00 0.87 C ATOM 543 CD ARG A 38 -3.133 11.222 -3.555 1.00 0.67 C ATOM 544 NE ARG A 38 -3.015 11.745 -4.945 1.00 2.06 N ATOM 545 CZ ARG A 38 -4.033 12.352 -5.493 1.00 3.09 C ATOM 546 NH1 ARG A 38 -4.903 11.645 -6.160 1.00 4.07 N ATOM 547 NH2 ARG A 38 -4.145 13.644 -5.356 1.00 3.73 N ATOM 0 H ARG A 38 -5.758 11.321 0.004 1.00 0.89 H new ATOM 0 HA ARG A 38 -6.811 10.130 -2.470 1.00 0.63 H new ATOM 0 HB2 ARG A 38 -4.174 10.621 -1.154 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -4.250 9.151 -2.105 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -5.074 10.420 -4.077 1.00 0.87 H new ATOM 0 HG3 ARG A 38 -5.146 11.896 -3.134 1.00 0.87 H new ATOM 0 HD2 ARG A 38 -2.725 11.942 -2.846 1.00 0.67 H new ATOM 0 HD3 ARG A 38 -2.553 10.305 -3.447 1.00 0.67 H new ATOM 0 HE ARG A 38 -2.145 11.630 -5.465 1.00 2.06 H new ATOM 0 HH11 ARG A 38 -4.781 10.636 -6.246 1.00 4.07 H new ATOM 0 HH12 ARG A 38 -5.705 12.101 -6.595 1.00 4.07 H new ATOM 0 HH21 ARG A 38 -3.444 14.164 -4.828 1.00 3.73 H new ATOM 0 HH22 ARG A 38 -4.934 14.135 -5.777 1.00 3.73 H new ATOM 561 N LEU A 39 -6.389 7.591 -1.966 1.00 0.42 N ATOM 562 CA LEU A 39 -6.616 6.178 -1.543 1.00 0.39 C ATOM 563 C LEU A 39 -5.274 5.468 -1.340 1.00 0.34 C ATOM 564 O LEU A 39 -4.648 5.034 -2.287 1.00 0.84 O ATOM 565 CB LEU A 39 -7.427 5.458 -2.631 1.00 0.66 C ATOM 566 CG LEU A 39 -7.452 3.944 -2.358 1.00 0.39 C ATOM 567 CD1 LEU A 39 -7.862 3.688 -0.904 1.00 0.56 C ATOM 568 CD2 LEU A 39 -8.474 3.288 -3.287 1.00 1.07 C ATOM 0 H LEU A 39 -6.212 7.727 -2.961 1.00 0.42 H new ATOM 0 HA LEU A 39 -7.164 6.162 -0.601 1.00 0.39 H new ATOM 0 HB2 LEU A 39 -8.445 5.848 -2.655 1.00 0.66 H new ATOM 0 HB3 LEU A 39 -6.989 5.652 -3.610 1.00 0.66 H new ATOM 0 HG LEU A 39 -6.461 3.526 -2.535 1.00 0.39 H new ATOM 0 HD11 LEU A 39 -7.879 2.615 -0.714 1.00 0.56 H new ATOM 0 HD12 LEU A 39 -7.145 4.164 -0.235 1.00 0.56 H new ATOM 0 HD13 LEU A 39 -8.854 4.103 -0.727 1.00 0.56 H new ATOM 0 HD21 LEU A 39 -8.499 2.214 -3.101 1.00 1.07 H new ATOM 0 HD22 LEU A 39 -9.461 3.712 -3.100 1.00 1.07 H new ATOM 0 HD23 LEU A 39 -8.192 3.470 -4.324 1.00 1.07 H new ATOM 580 N THR A 40 -4.861 5.365 -0.107 1.00 0.14 N ATOM 581 CA THR A 40 -3.563 4.687 0.176 1.00 0.26 C ATOM 582 C THR A 40 -3.795 3.200 0.460 1.00 0.24 C ATOM 583 O THR A 40 -4.812 2.647 0.094 1.00 0.29 O ATOM 584 CB THR A 40 -2.913 5.344 1.396 1.00 0.51 C ATOM 585 OG1 THR A 40 -3.808 5.078 2.472 1.00 0.47 O ATOM 586 CG2 THR A 40 -2.882 6.863 1.264 1.00 0.73 C ATOM 0 H THR A 40 -5.360 5.717 0.710 1.00 0.14 H new ATOM 0 HA THR A 40 -2.910 4.782 -0.691 1.00 0.26 H new ATOM 0 HB THR A 40 -1.897 4.970 1.522 1.00 0.51 H new ATOM 0 HG1 THR A 40 -3.454 5.471 3.297 1.00 0.47 H new ATOM 0 HG21 THR A 40 -2.414 7.296 2.148 1.00 0.73 H new ATOM 0 HG22 THR A 40 -2.310 7.140 0.378 1.00 0.73 H new ATOM 0 HG23 THR A 40 -3.900 7.241 1.171 1.00 0.73 H new ATOM 594 N ARG A 41 -2.842 2.585 1.104 1.00 0.28 N ATOM 595 CA ARG A 41 -2.990 1.134 1.421 1.00 0.31 C ATOM 596 C ARG A 41 -3.593 0.960 2.819 1.00 0.19 C ATOM 597 O ARG A 41 -4.271 -0.011 3.090 1.00 0.34 O ATOM 598 CB ARG A 41 -1.614 0.470 1.372 1.00 0.48 C ATOM 599 CG ARG A 41 -1.746 -0.994 1.790 1.00 0.44 C ATOM 600 CD ARG A 41 -1.198 -1.160 3.208 1.00 1.53 C ATOM 601 NE ARG A 41 0.288 -1.051 3.169 1.00 1.22 N ATOM 602 CZ ARG A 41 1.004 -1.788 3.971 1.00 1.36 C ATOM 603 NH1 ARG A 41 1.166 -1.402 5.207 1.00 2.48 N ATOM 604 NH2 ARG A 41 1.537 -2.887 3.511 1.00 0.89 N ATOM 0 H ARG A 41 -1.975 3.018 1.422 1.00 0.28 H new ATOM 0 HA ARG A 41 -3.653 0.670 0.690 1.00 0.31 H new ATOM 0 HB2 ARG A 41 -1.200 0.537 0.366 1.00 0.48 H new ATOM 0 HB3 ARG A 41 -0.923 0.989 2.036 1.00 0.48 H new ATOM 0 HG2 ARG A 41 -2.790 -1.303 1.752 1.00 0.44 H new ATOM 0 HG3 ARG A 41 -1.198 -1.634 1.098 1.00 0.44 H new ATOM 0 HD2 ARG A 41 -1.615 -0.396 3.865 1.00 1.53 H new ATOM 0 HD3 ARG A 41 -1.494 -2.127 3.615 1.00 1.53 H new ATOM 0 HE ARG A 41 0.740 -0.406 2.521 1.00 1.22 H new ATOM 0 HH11 ARG A 41 0.735 -0.536 5.531 1.00 2.48 H new ATOM 0 HH12 ARG A 41 1.723 -1.966 5.849 1.00 2.48 H new ATOM 0 HH21 ARG A 41 1.390 -3.157 2.538 1.00 0.89 H new ATOM 0 HH22 ARG A 41 2.100 -3.476 4.124 1.00 0.89 H new ATOM 618 N GLU A 42 -3.333 1.909 3.678 1.00 0.20 N ATOM 619 CA GLU A 42 -3.885 1.815 5.061 1.00 0.25 C ATOM 620 C GLU A 42 -5.409 1.663 5.012 1.00 0.24 C ATOM 621 O GLU A 42 -6.000 1.029 5.862 1.00 0.72 O ATOM 622 CB GLU A 42 -3.525 3.085 5.830 1.00 0.35 C ATOM 623 CG GLU A 42 -3.863 2.889 7.310 1.00 1.25 C ATOM 624 CD GLU A 42 -4.617 4.116 7.824 1.00 2.46 C ATOM 625 OE1 GLU A 42 -5.690 4.354 7.292 1.00 3.42 O ATOM 626 OE2 GLU A 42 -4.080 4.746 8.720 1.00 2.70 O ATOM 0 H GLU A 42 -2.769 2.737 3.486 1.00 0.20 H new ATOM 0 HA GLU A 42 -3.459 0.944 5.560 1.00 0.25 H new ATOM 0 HB2 GLU A 42 -2.464 3.307 5.713 1.00 0.35 H new ATOM 0 HB3 GLU A 42 -4.075 3.936 5.428 1.00 0.35 H new ATOM 0 HG2 GLU A 42 -4.471 1.994 7.440 1.00 1.25 H new ATOM 0 HG3 GLU A 42 -2.950 2.741 7.887 1.00 1.25 H new ATOM 633 N ASP A 43 -6.011 2.249 4.013 1.00 0.42 N ATOM 634 CA ASP A 43 -7.495 2.147 3.890 1.00 0.36 C ATOM 635 C ASP A 43 -7.889 0.746 3.412 1.00 0.42 C ATOM 636 O ASP A 43 -8.808 0.144 3.932 1.00 0.56 O ATOM 637 CB ASP A 43 -7.986 3.187 2.884 1.00 0.28 C ATOM 638 CG ASP A 43 -7.479 4.570 3.298 1.00 0.37 C ATOM 639 OD1 ASP A 43 -7.889 5.000 4.363 1.00 0.97 O ATOM 640 OD2 ASP A 43 -6.711 5.119 2.525 1.00 1.70 O ATOM 0 H ASP A 43 -5.546 2.789 3.283 1.00 0.42 H new ATOM 0 HA ASP A 43 -7.951 2.329 4.863 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -7.628 2.940 1.884 1.00 0.28 H new ATOM 0 HB3 ASP A 43 -9.075 3.184 2.843 1.00 0.28 H new ATOM 645 N VAL A 44 -7.184 0.257 2.429 1.00 0.37 N ATOM 646 CA VAL A 44 -7.501 -1.104 1.904 1.00 0.44 C ATOM 647 C VAL A 44 -7.219 -2.161 2.978 1.00 0.58 C ATOM 648 O VAL A 44 -7.835 -3.208 3.000 1.00 0.62 O ATOM 649 CB VAL A 44 -6.631 -1.380 0.678 1.00 0.59 C ATOM 650 CG1 VAL A 44 -7.181 -2.597 -0.066 1.00 0.53 C ATOM 651 CG2 VAL A 44 -6.667 -0.164 -0.250 1.00 0.70 C ATOM 0 H VAL A 44 -6.409 0.735 1.969 1.00 0.37 H new ATOM 0 HA VAL A 44 -8.555 -1.149 1.631 1.00 0.44 H new ATOM 0 HB VAL A 44 -5.605 -1.573 0.991 1.00 0.59 H new ATOM 0 HG11 VAL A 44 -6.564 -2.798 -0.942 1.00 0.53 H new ATOM 0 HG12 VAL A 44 -7.167 -3.464 0.594 1.00 0.53 H new ATOM 0 HG13 VAL A 44 -8.205 -2.398 -0.382 1.00 0.53 H new ATOM 0 HG21 VAL A 44 -6.048 -0.356 -1.126 1.00 0.70 H new ATOM 0 HG22 VAL A 44 -7.694 0.023 -0.565 1.00 0.70 H new ATOM 0 HG23 VAL A 44 -6.285 0.709 0.279 1.00 0.70 H new ATOM 661 N GLU A 45 -6.291 -1.860 3.845 1.00 0.67 N ATOM 662 CA GLU A 45 -5.950 -2.834 4.926 1.00 0.84 C ATOM 663 C GLU A 45 -7.223 -3.314 5.633 1.00 0.62 C ATOM 664 O GLU A 45 -7.406 -4.495 5.851 1.00 0.60 O ATOM 665 CB GLU A 45 -5.033 -2.151 5.939 1.00 1.13 C ATOM 666 CG GLU A 45 -4.137 -3.203 6.595 1.00 1.09 C ATOM 667 CD GLU A 45 -3.626 -2.665 7.934 1.00 1.87 C ATOM 668 OE1 GLU A 45 -4.476 -2.320 8.739 1.00 2.79 O ATOM 669 OE2 GLU A 45 -2.414 -2.631 8.076 1.00 1.95 O ATOM 0 H GLU A 45 -5.757 -0.991 3.854 1.00 0.67 H new ATOM 0 HA GLU A 45 -5.448 -3.696 4.486 1.00 0.84 H new ATOM 0 HB2 GLU A 45 -4.424 -1.395 5.444 1.00 1.13 H new ATOM 0 HB3 GLU A 45 -5.626 -1.638 6.696 1.00 1.13 H new ATOM 0 HG2 GLU A 45 -4.694 -4.127 6.750 1.00 1.09 H new ATOM 0 HG3 GLU A 45 -3.298 -3.442 5.941 1.00 1.09 H new ATOM 676 N LYS A 46 -8.072 -2.385 5.980 1.00 0.54 N ATOM 677 CA LYS A 46 -9.335 -2.770 6.676 1.00 0.51 C ATOM 678 C LYS A 46 -10.325 -3.387 5.682 1.00 0.36 C ATOM 679 O LYS A 46 -11.513 -3.144 5.752 1.00 0.96 O ATOM 680 CB LYS A 46 -9.957 -1.525 7.307 1.00 0.68 C ATOM 681 CG LYS A 46 -10.777 -1.937 8.530 1.00 1.71 C ATOM 682 CD LYS A 46 -11.483 -0.705 9.099 1.00 2.07 C ATOM 683 CE LYS A 46 -11.571 -0.834 10.621 1.00 2.31 C ATOM 684 NZ LYS A 46 -10.282 -0.435 11.253 1.00 1.46 N ATOM 0 H LYS A 46 -7.949 -1.386 5.814 1.00 0.54 H new ATOM 0 HA LYS A 46 -9.108 -3.506 7.447 1.00 0.51 H new ATOM 0 HB2 LYS A 46 -9.177 -0.822 7.598 1.00 0.68 H new ATOM 0 HB3 LYS A 46 -10.593 -1.015 6.583 1.00 0.68 H new ATOM 0 HG2 LYS A 46 -11.509 -2.695 8.253 1.00 1.71 H new ATOM 0 HG3 LYS A 46 -10.128 -2.381 9.285 1.00 1.71 H new ATOM 0 HD2 LYS A 46 -10.937 0.199 8.830 1.00 2.07 H new ATOM 0 HD3 LYS A 46 -12.481 -0.613 8.671 1.00 2.07 H new ATOM 0 HE2 LYS A 46 -12.378 -0.206 10.999 1.00 2.31 H new ATOM 0 HE3 LYS A 46 -11.813 -1.862 10.892 1.00 2.31 H new ATOM 0 HZ1 LYS A 46 -10.358 -0.528 12.286 1.00 1.46 H new ATOM 0 HZ2 LYS A 46 -9.520 -1.051 10.905 1.00 1.46 H new ATOM 0 HZ3 LYS A 46 -10.067 0.553 11.010 1.00 1.46 H new ATOM 698 N HIS A 47 -9.811 -4.173 4.776 1.00 0.37 N ATOM 699 CA HIS A 47 -10.706 -4.817 3.771 1.00 0.49 C ATOM 700 C HIS A 47 -10.180 -6.210 3.414 1.00 0.61 C ATOM 701 O HIS A 47 -10.929 -7.164 3.354 1.00 0.80 O ATOM 702 CB HIS A 47 -10.746 -3.952 2.513 1.00 0.49 C ATOM 703 CG HIS A 47 -12.101 -4.124 1.823 1.00 0.43 C ATOM 704 ND1 HIS A 47 -13.177 -3.621 2.219 1.00 0.37 N ATOM 705 CD2 HIS A 47 -12.424 -4.826 0.677 1.00 0.46 C ATOM 706 CE1 HIS A 47 -14.141 -3.929 1.449 1.00 0.36 C ATOM 707 NE2 HIS A 47 -13.752 -4.697 0.435 1.00 0.43 N ATOM 0 H HIS A 47 -8.820 -4.396 4.687 1.00 0.37 H new ATOM 0 HA HIS A 47 -11.708 -4.913 4.190 1.00 0.49 H new ATOM 0 HB2 HIS A 47 -10.588 -2.905 2.772 1.00 0.49 H new ATOM 0 HB3 HIS A 47 -9.941 -4.238 1.836 1.00 0.49 H new ATOM 0 HD2 HIS A 47 -11.729 -5.388 0.071 1.00 0.46 H new ATOM 0 HE1 HIS A 47 -15.160 -3.604 1.601 1.00 0.36 H new ATOM 0 HE2 HIS A 47 -14.308 -5.087 -0.326 1.00 0.43 H new ATOM 715 N LEU A 48 -8.899 -6.294 3.184 1.00 0.61 N ATOM 716 CA LEU A 48 -8.300 -7.614 2.831 1.00 0.83 C ATOM 717 C LEU A 48 -8.234 -8.515 4.068 1.00 1.13 C ATOM 718 O LEU A 48 -8.780 -9.600 4.079 1.00 1.15 O ATOM 719 CB LEU A 48 -6.891 -7.389 2.287 1.00 0.95 C ATOM 720 CG LEU A 48 -6.978 -6.585 0.989 1.00 0.90 C ATOM 721 CD1 LEU A 48 -5.775 -5.645 0.896 1.00 1.20 C ATOM 722 CD2 LEU A 48 -6.955 -7.548 -0.199 1.00 1.27 C ATOM 0 H LEU A 48 -8.244 -5.513 3.224 1.00 0.61 H new ATOM 0 HA LEU A 48 -8.919 -8.101 2.077 1.00 0.83 H new ATOM 0 HB2 LEU A 48 -6.286 -6.855 3.020 1.00 0.95 H new ATOM 0 HB3 LEU A 48 -6.401 -8.346 2.105 1.00 0.95 H new ATOM 0 HG LEU A 48 -7.900 -6.004 0.977 1.00 0.90 H new ATOM 0 HD11 LEU A 48 -5.833 -5.070 -0.028 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -5.778 -4.965 1.748 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -4.855 -6.230 0.902 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -7.017 -6.981 -1.128 1.00 1.27 H new ATOM 0 HD22 LEU A 48 -6.028 -8.121 -0.185 1.00 1.27 H new ATOM 0 HD23 LEU A 48 -7.804 -8.229 -0.132 1.00 1.27 H new ATOM 734 N ALA A 49 -7.564 -8.043 5.083 1.00 2.04 N ATOM 735 CA ALA A 49 -7.449 -8.858 6.328 1.00 2.43 C ATOM 736 C ALA A 49 -8.839 -9.130 6.913 1.00 1.40 C ATOM 737 O ALA A 49 -9.838 -9.000 6.235 1.00 0.83 O ATOM 738 CB ALA A 49 -6.607 -8.094 7.348 1.00 3.89 C ATOM 0 H ALA A 49 -7.095 -7.138 5.106 1.00 2.04 H new ATOM 0 HA ALA A 49 -6.974 -9.810 6.092 1.00 2.43 H new ATOM 0 HB1 ALA A 49 -6.518 -8.683 8.261 1.00 3.89 H new ATOM 0 HB2 ALA A 49 -5.614 -7.911 6.936 1.00 3.89 H new ATOM 0 HB3 ALA A 49 -7.087 -7.142 7.576 1.00 3.89 H new ATOM 744 N LYS A 50 -8.870 -9.502 8.164 1.00 1.86 N ATOM 745 CA LYS A 50 -10.184 -9.788 8.811 1.00 1.93 C ATOM 746 C LYS A 50 -11.189 -8.678 8.482 1.00 2.85 C ATOM 747 O LYS A 50 -12.008 -8.823 7.597 1.00 3.03 O ATOM 748 CB LYS A 50 -9.987 -9.869 10.324 1.00 2.89 C ATOM 749 CG LYS A 50 -9.059 -11.042 10.646 1.00 3.00 C ATOM 750 CD LYS A 50 -8.246 -10.708 11.899 1.00 4.07 C ATOM 751 CE LYS A 50 -9.203 -10.424 13.057 1.00 4.96 C ATOM 752 NZ LYS A 50 -8.515 -10.623 14.364 1.00 6.17 N ATOM 0 H LYS A 50 -8.052 -9.620 8.762 1.00 1.86 H new ATOM 0 HA LYS A 50 -10.572 -10.735 8.436 1.00 1.93 H new ATOM 0 HB2 LYS A 50 -9.560 -8.938 10.698 1.00 2.89 H new ATOM 0 HB3 LYS A 50 -10.948 -10.002 10.822 1.00 2.89 H new ATOM 0 HG2 LYS A 50 -9.641 -11.949 10.806 1.00 3.00 H new ATOM 0 HG3 LYS A 50 -8.392 -11.236 9.806 1.00 3.00 H new ATOM 0 HD2 LYS A 50 -7.587 -11.538 12.151 1.00 4.07 H new ATOM 0 HD3 LYS A 50 -7.611 -9.841 11.715 1.00 4.07 H new ATOM 0 HE2 LYS A 50 -9.575 -9.402 12.987 1.00 4.96 H new ATOM 0 HE3 LYS A 50 -10.069 -11.083 12.991 1.00 4.96 H new ATOM 0 HZ1 LYS A 50 -9.179 -10.426 15.140 1.00 6.17 H new ATOM 0 HZ2 LYS A 50 -8.182 -11.606 14.435 1.00 6.17 H new ATOM 0 HZ3 LYS A 50 -7.703 -9.976 14.431 1.00 6.17 H new ATOM 766 N ALA A 51 -11.104 -7.594 9.203 1.00 4.00 N ATOM 767 CA ALA A 51 -12.049 -6.467 8.945 1.00 5.34 C ATOM 768 C ALA A 51 -12.141 -6.190 7.440 1.00 5.50 C ATOM 769 O ALA A 51 -11.191 -5.612 6.937 1.00 5.62 O ATOM 770 CB ALA A 51 -11.547 -5.217 9.664 1.00 6.55 C ATOM 771 OXT ALA A 51 -13.154 -6.573 6.881 1.00 5.95 O ATOM 0 H ALA A 51 -10.429 -7.439 9.952 1.00 4.00 H new ATOM 0 HA ALA A 51 -13.038 -6.735 9.316 1.00 5.34 H new ATOM 0 HB1 ALA A 51 -12.233 -4.391 9.479 1.00 6.55 H new ATOM 0 HB2 ALA A 51 -11.492 -5.411 10.735 1.00 6.55 H new ATOM 0 HB3 ALA A 51 -10.556 -4.956 9.292 1.00 6.55 H new TER 777 ALA A 51